(6R)-4-[4-(Trifluoromethoxy)benzyl]-1,4-oxazepan-6-ol

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Systematic / IUPAC Name: (6R)-4-[[4-(Trifluoromethoxy)phenyl]methyl]-1,4-oxazepan-6-ol

ID: Reference11441

Other Names: NAT47-553645

Formula: C13H16F3NO3

Spectral Data

(6R)-4-[4-(Trifluoromethoxy)benzyl]-1,4-oxazepan-6-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 409
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/3/2022 2:59:03 PM
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Identificators

InChI InChI=1S/C13H16F3NO3/c14-13(15,16)20-12-3-1-10(2-4-12)7-17-5-6-19-9-11(18)8-17/h1-4,11,18H,5-9H2/t11-/m1/s1
InChI Key VXSZDXJDPCJHER-LLVKDONJSA-N
Canonical SMILES C1COCC(CN1CC2=CC=C(C=C2)OC(F)(F)F)O
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Other Names NAT47-553645

In Other Databases

ChemSpider 29855627
PubChem 75536949